1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione

C18H15N5O3 — CID 74223831

IUPAC1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3nccc4[nH]ncc34)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H15N5O3/c1-10-15(23(2)18(25)21-16(10)24)11-3-5-12(6-4-11)26-17-13-9-20-22-14(13)7-8-19-17/h3-9H,1-2H3,(H,20,22)(H,21,24,25)
InChIKeyOFPHQGGHTJZGKJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.11
Rot. Bonds3

About 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione

1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione (PubChem CID 74223831) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione
PubChem CID74223831
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Oc3nccc4[nH]ncc34)cc2)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H15N5O3/c1-10-15(23(2)18(25)21-16(10)24)11-3-5-12(6-4-11)26-17-13-9-20-22-14(13)7-8-19-17/h3-9H,1-2H3,(H,20,22)(H,21,24,25)
InChIKeyOFPHQGGHTJZGKJ-UHFFFAOYSA-N
XLogP2.11
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione (CID 74223831) is 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione is Cc1c(-c2ccc(Oc3nccc4[nH]ncc34)cc2)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione?
The InChIKey is OFPHQGGHTJZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-10-15(23(2)18(25)21-16(10)24)11-3-5-12(6-4-11)26-17-13-9-20-22-14(13)7-8-19-17/h3-9H,1-2H3,(H,20,22)(H,21,24,25).
What are the key properties of 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione?
1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione has a molecular weight of 349.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 74223831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).